4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene

C16H17F3O — CID 160700624

IUPAC4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene
SMILESCCc1ccc(O)cc1.Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3.C8H10O/c1-6-3-2-4-7(5-6)8(9,10)11;1-2-7-3-5-8(9)6-4-7/h2-5H,1H3;3-6,9H,2H2,1H3
InChIKeyRQOLHNGQOWKKKO-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.97
Rot. Bonds1

About 4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene

4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene (PubChem CID 160700624) has the molecular formula C16H17F3O and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene
PubChem CID160700624
Molecular FormulaC16H17F3O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene
SMILESCCc1ccc(O)cc1.Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3.C8H10O/c1-6-3-2-4-7(5-6)8(9,10)11;1-2-7-3-5-8(9)6-4-7/h2-5H,1H3;3-6,9H,2H2,1H3
InChIKeyRQOLHNGQOWKKKO-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione;1-(4-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 91590027
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
3-ethylphenol;4-ethylphenol
CID 70541430
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
sodium;4-ethylphenol;hydroxide
CID 160913882

Frequently Asked Questions

What is the IUPAC name of 4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene (CID 160700624) is 4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene is CCc1ccc(O)cc1.Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene?
The InChIKey is RQOLHNGQOWKKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3.C8H10O/c1-6-3-2-4-7(5-6)8(9,10)11;1-2-7-3-5-8(9)6-4-7/h2-5H,1H3;3-6,9H,2H2,1H3.
What are the key properties of 4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene?
4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene has a molecular weight of 282.31 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylphenol;1-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 160700624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).